2-(2-methoxyethyl)-5-(2-piperidin-1-ylethoxy)isoquinolin-1-one

C19H26N2O3 — CID 43985596

IUPAC2-(2-methoxyethyl)-5-(2-piperidin-1-ylethoxy)isoquinolin-1-one
SMILESCOCCn1ccc2c(OCCN3CCCCC3)cccc2c1=O
InChIInChI=1S/C19H26N2O3/c1-23-14-13-21-11-8-16-17(19(21)22)6-5-7-18(16)24-15-12-20-9-3-2-4-10-20/h5-8,11H,2-4,9-10,12-15H2,1H3
InChIKeyNQSPOSJFCHIZNJ-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.51
Rot. Bonds7

About 2-(2-methoxyethyl)-5-(2-piperidin-1-ylethoxy)isoquinolin-1-one

2-(2-methoxyethyl)-5-(2-piperidin-1-ylethoxy)isoquinolin-1-one (PubChem CID 43985596) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-5-(2-piperidin-1-ylethoxy)isoquinolin-1-one.

Molecular Properties

Compound Name2-(2-methoxyethyl)-5-(2-piperidin-1-ylethoxy)isoquinolin-1-one
PubChem CID43985596
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name2-(2-methoxyethyl)-5-(2-piperidin-1-ylethoxy)isoquinolin-1-one
SMILESCOCCn1ccc2c(OCCN3CCCCC3)cccc2c1=O
InChIInChI=1S/C19H26N2O3/c1-23-14-13-21-11-8-16-17(19(21)22)6-5-7-18(16)24-15-12-20-9-3-2-4-10-20/h5-8,11H,2-4,9-10,12-15H2,1H3
InChIKeyNQSPOSJFCHIZNJ-UHFFFAOYSA-N
XLogP2.51
TPSA43.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-5-(2-pyrrolidin-1-ylethoxy)isoquinolin-1-one
CID 43985507
5-butoxy-2-(2-methoxyethyl)isoquinolin-1-one
CID 43985585
5-(2-ethoxyethoxy)-2-(2-ethoxyethyl)isoquinolin-1-one
CID 43985622
2-methyl-5-(2-morpholin-4-ylethoxy)isoquinolin-1-one
CID 20645387
2-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]oxy-N-propylacetamide
CID 7293336
1-[2-(4-methylnaphthalen-1-yl)oxyethyl]piperidine
CID 71054217
N-(3-acetamidophenyl)-2-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]oxyacetamide
CID 7293322
1-[2-(2-methoxyphenoxy)ethyl]piperidine
CID 867242
N-(3,4-dimethoxyphenyl)-2-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]oxyacetamide
CID 7293315
N-(1,3-benzodioxol-5-yl)-2-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]oxyacetamide
CID 7293316
1-[2-(2-propan-2-ylphenoxy)ethyl]piperidine
CID 58154732
5-prop-2-enoxy-2-propylisoquinolin-1-one
CID 43985528

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-5-(2-piperidin-1-ylethoxy)isoquinolin-1-one?
The IUPAC name of 2-(2-methoxyethyl)-5-(2-piperidin-1-ylethoxy)isoquinolin-1-one (CID 43985596) is 2-(2-methoxyethyl)-5-(2-piperidin-1-ylethoxy)isoquinolin-1-one.
What is the SMILES notation for 2-(2-methoxyethyl)-5-(2-piperidin-1-ylethoxy)isoquinolin-1-one?
The canonical SMILES for 2-(2-methoxyethyl)-5-(2-piperidin-1-ylethoxy)isoquinolin-1-one is COCCn1ccc2c(OCCN3CCCCC3)cccc2c1=O.
What is the InChIKey of 2-(2-methoxyethyl)-5-(2-piperidin-1-ylethoxy)isoquinolin-1-one?
The InChIKey is NQSPOSJFCHIZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-23-14-13-21-11-8-16-17(19(21)22)6-5-7-18(16)24-15-12-20-9-3-2-4-10-20/h5-8,11H,2-4,9-10,12-15H2,1H3.
What are the key properties of 2-(2-methoxyethyl)-5-(2-piperidin-1-ylethoxy)isoquinolin-1-one?
2-(2-methoxyethyl)-5-(2-piperidin-1-ylethoxy)isoquinolin-1-one has a molecular weight of 330.43 g/mol, XLogP of 2.51, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-5-(2-piperidin-1-ylethoxy)isoquinolin-1-one is sourced from PubChem (CID 43985596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).